![CAS 888222-12-6 1′-(TERT-BUTOXYCARBONYL)SPIRO[INDOLINE-3,4′-PIPERIDINE]-5-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/888222-12-6.gif)
CAS RN: 888222-12-6
1′-(TERT-BUTOXYCARBONYL)SPIRO[INDOLINE-3,4′-PIPERIDINE]-5-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250503 | 50mg | Out of stock | Inquiry |
- Product code: SSC-200549
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
888222-12-6 / 1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-5-carboxylic acid
Basic Information
CAS
888222-12-6
Multi CAS
Yes
Molecular Formula
C18H24N2O4
Molecular Weight
332.400000
Exact Mass
332.173607
InChI
InChI=1S/C18H24N2O4/c1-17(2,3)24-16(23)20-8-6-18(7-9-20)11-19-14-5-4-12(15(21)22)10-13(14)18/h4-5,10,19H,6-9,11H2,1-3H3,(H,21,22)
InChIKey
GKEIXWRMVGDCSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.61
TPSA
78.87
LogP / Solubility
WLOGP
3.08
MLOGP
2.73
XLogP3
2.6
Consensus LogP
2.8
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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